3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-3-phenyl-1-benzofuran-2-one

Systemtic Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-3-phenyl-1-benzofuran-2-one Openeye Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-5-methyl-3-phenyl-benzofuran-2-one CAS Name: 3-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-5-methyl-3-phenyl-2-benzofuranone IUPAC Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-3-phenyl-1-benzofuran-2-one Traditional Name: 3-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-5-methyl-3-phenyl-coumaran-2-one Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C2(CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C2(CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H25FN2O3/c1-19-7-12-24-23(17-19)27(26(32)33-24,20-5-3-2-4-6-20)18-25(31)30-15-13-29(14-16-30)22-10-8-21(28)9-11-22/h2-12,17H,13-16,18H2,1H3